#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 08/15/2022

data_5yOhtAoR
_audit_creation_date            2022-08-15
_audit_creation_method          "Bilbao Crystallographic Server"

_chemical_name_systematic
;
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    "Ho1 V1 O3"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        83
_citation_page_first            .
_citation_page_last             .
_citation_article_id            064404
_citation_year                  2011
_citation_DOI                   10.1103/PhysRevB.83.064404

loop_
_citation_author_name
"M. Reehuis"
"C. Ulrich"
"K. Prokes"
"S. Mat'as"
"J. Fujioka"
"S. Miyasaka"
"Y. Tokura"
"B. Keimer"

_temperature_position_structure         295
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  182255
_atomic_positions_source_other               .

_transition_temperature     38
_experiment_temperature     6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+ 1 1 . primary 5 .
mGM3- 1 1 . primary 1 .

_exptl_crystal_magnetic_properties_details
;
NSD
Non-standard parent setting Pbnm
The positional structure is supposed to have a monoclinic distortion reducing the space group to P21/b11. But it is not specified. Here the reported positional parent Pbnm structure at 295K is used.
Above 38K, up to 113K only V moments are ordered and a different phase is reported, also with two irreps.
;

_active_magnetic_irreps_details
;
1k magnetic structure
2 irreps active as primary. This means that two different order parameters are involved.
The action of two irreps lowers the symmetry to a polar MSG.
The second irrep, mGM3-, involves only the non-zero mz of the Ho moment.
Polar along c and FM along a (in the parent Pbnm setting)
The model includes constraints that are not forced by symmetry, or by the restriction to the two irreps.
If the P21/b11 structural distortion were also taken into account, the actual MSG of this phase would reduce to 7.24 Pc (c,a,b;1/4,0,0)
;

_parent_space_group.name_H-M_alt  'P b n m'
_parent_space_group.IT_number                       62
_parent_space_group.transform_Pp_abc  'b,c,a;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 0]

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '-b,a,c;0,0,0'

_space_group_magn.number_BNS  33.146
_space_group_magn.name_BNS  "P n' a 2_1'"
_space_group_magn.point_group_name  "m'm2'"
_space_group_magn.point_group_number  "7.3.22"
_cell_length_a                 5.27520
_cell_length_b                 5.60660
_cell_length_c                 7.58300
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_cell_angle_gamma              90.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1 
2 -x+1/2,y+1/2,z,+1 
3 -x,-y,z+1/2,-1 
4 x+1/2,-y+1/2,z+1/2,-1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ho1 Ho 0.48073 0.43129 0.75000 1.
V1 V 0.50000 0.00000 0.00000 1.
O1 O 0.61034 0.03893 0.75000 0.997
O2_1 O 0.69140 0.30394 0.05596 0.998
O2_2 O 0.19140 0.19606 0.94404 0.998

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
_atom_site_moment.magnitude
_atom_site_moment.spherical_azimuthal
_atom_site_moment.spherical_polar
Ho1 -2.3(2) 6.1(2) 2.1(2) mx,my,mz 6.9(3) ? ?
V1 0.0 0.0 1.42(3) mx,my,mz 1.42(3) ? ?

